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tsoc
openmm
Commits
f5ccdb60
Commit
f5ccdb60
authored
Apr 11, 2012
by
Mark Friedrichs
Browse files
Minor optimization
parent
90a5e2db
Changes
1
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9 additions
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6 deletions
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-6
plugins/amoeba/platforms/cuda/src/kernels/kCalculateAmoebaCudaPmeMutualInducedField.cu
.../src/kernels/kCalculateAmoebaCudaPmeMutualInducedField.cu
+9
-6
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plugins/amoeba/platforms/cuda/src/kernels/kCalculateAmoebaCudaPmeMutualInducedField.cu
View file @
f5ccdb60
...
...
@@ -386,14 +386,17 @@ static void kSorUpdateMutualInducedField_kernel(
// add self terms to fields
matrixProduct
[
pos
]
+=
term
*
previousDipole
;
matrixProductP
[
pos
]
+=
term
*
previousDipoleP
;
float
mProd
=
matrixProduct
[
pos
];
float
mProdP
=
matrixProductP
[
pos
];
mProd
+=
term
*
previousDipole
;
mProdP
+=
term
*
previousDipoleP
;
inducedDipole
[
pos
]
=
fixedEField
[
pos
]
+
polarizability
[
pos
]
*
m
atrixProduct
[
pos
]
;
inducedDipoleP
[
pos
]
=
fixedEFieldP
[
pos
]
+
polarizability
[
pos
]
*
m
atrixProductP
[
pos
]
;
float
inducedDipole
I
=
fixedEField
[
pos
]
+
polarizability
[
pos
]
*
m
Prod
;
float
inducedDipole
I
P
=
fixedEFieldP
[
pos
]
+
polarizability
[
pos
]
*
m
ProdP
;
inducedDipole
[
pos
]
=
previousDipole
+
polarSOR
*
(
inducedDipole
[
pos
]
-
previousDipole
);
inducedDipoleP
[
pos
]
=
previousDipoleP
+
polarSOR
*
(
inducedDipoleP
[
pos
]
-
previousDipoleP
);
inducedDipole
[
pos
]
=
previousDipole
+
polarSOR
*
(
inducedDipole
I
-
previousDipole
);
inducedDipoleP
[
pos
]
=
previousDipoleP
+
polarSOR
*
(
inducedDipole
I
P
-
previousDipoleP
);
matrixProduct
[
pos
]
=
(
inducedDipole
[
pos
]
-
previousDipole
)
*
(
inducedDipole
[
pos
]
-
previousDipole
);
matrixProductP
[
pos
]
=
(
inducedDipoleP
[
pos
]
-
previousDipoleP
)
*
(
inducedDipoleP
[
pos
]
-
previousDipoleP
);
...
...
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